Basic information
- CAS
20898-44-6- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1cn(Cc2ccccc2)cn1)C(=O)O- InChIKey
OUHPNBGKEMHUCQ-UHFFFAOYSA-N- Molecular formula
- C18H23N3O4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16885622
Names & identifiers
- Preferred name
- 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid
- IUPAC
- 3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- Boc-His(Bzl)-OH
- Molecular formula
- C18H23N3O4
- Molecular weight
- 345.39
Names & synonyms
2179309-76-13-(1-benzyl-1H-imidazol-4-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid3-(1-benzyl-1h-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid3-(1-Benzyl-1H-imidazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid2-[(tert-butoxy)carbonylamino]-3-[1-benzylimidazol-4-yl]propanoic acidNSC164043N-Boc-1-benzyl-L-histidineNa-Boc-Nim-benzyl-D-histidineNa-Boc-Nim-benzyl-L-histidine(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acidN-alpha-Boc-Nim-benzyl-D-histidine
Show more names
NSC 164043Boc-His(Bzl)-OHBOC-L-HIS(BZL)-OHBOC-HISTIDINE(BZL)-OHNα-Boc-Nε-benzylhistidineBOC-N-IM-BENZYL-L-HISTIDINEBOC-HIS(BZL)-OH(20898-44-6)TIANFU CHEM BOC-HIS(BZL)-OHBoc-His(Bzl)-OH >=98.0% (TLC)
Histidine, N-tert-butyl ester, L-3-(1-benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acidMFCD03547895SBB058130AKOS024374903AS-40043DB-045428N-alpha-t-BOC-N-im-BENZYL-L-HISTIDINE
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 181 · 181-184 °C
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- optical activity
- 20 · [α]20/D +23±1°, c = 1% in methanol
- BRN
- 710413 · 710413
- Major Application
- peptide synthesis
- InChI
- 1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)/t15-/m0/s1
- InChIKey
- OUHPNBGKEMHUCQ-HNNXBMFYSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O
- FDA UNII
- 9 F4A95WI5Z · 9F4A95WI5Z
- EPA Substance Registry System
- 1 · L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)- (20898-44-6)
- UNSPSC Code
- 12352209 · 12352209
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.29.4300
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Downstream products
Suppliers85 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司
Related reactions
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Compound notes
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